title: A kinetic energy fitting metric for resolution of the identity second-order Møller-Plesset perturbation theory.
abstract: A kinetic-energy-based fitting metric for application in the context of resolution of the identity second-order Møller-Plesset perturbation theory is presented, which is derived from the Poisson equation. Preliminary tests of the applicability include the evaluation of the error in the correlation energy, compared to standard Møller-Plesset perturbation theory, with respect to the auxiliary basis set employed. We comment on the potential merits of this fitting metric, compared to standard resolution of the identity second-order Møller-Plesset perturbation theory, and discuss its scaling behavior in the limit of large molecules.
authors.affiliation: Department of Chemistry, University of California, Berkeley, California 94720, United States. daniel.lambrecht@berkeley.edu
authors.forename: Daniel S
authors.initials: DS
authors.lastname: Lambrecht
authors.forename: Kai
authors.initials: K
authors.lastname: Brandhorst
authors.forename: William H
authors.initials: WH
authors.lastname: Miller
authors.forename: C William
authors.initials: CW
authors.lastname: McCurdy
authors.forename: Martin
authors.initials: M
authors.lastname: Head-Gordon